6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile

C87H71F4N25 — CID 137388808

IUPAC6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)c(F)cc3-c3cnn(C)c3)ccn2c1C1CCCC1(C)Cn1cc(-c2cc(F)c(C#N)nc2-c2ccn3c(C4CCCC4(C)Cn4cc(-c5cc(F)c(C#N)nc5-c5ccc6c(c5)ncn6C5CCCC5(C)Cn5cc(-c6cc(F)c(C#N)nc6-c6cnc7c(c6)ncn7C)cn5)cn4)cnc3c2)cn1
InChIInChI=1S/C87H71F4N25/c1-49-83(115-21-16-52(25-78(115)104-49)81-58(54-35-100-110(6)40-54)26-64(88)71(31-93)107-81)63-11-8-18-86(63,3)45-112-42-56(37-102-112)60-28-66(90)72(32-94)106-80(60)51-15-20-114-75(39-96-77(114)24-51)62-10-7-17-85(62,2)44-111-41-55(36-101-111)59-27-65(89)70(30-92)105-79(59)50-13-14-74-68(22-50)99-48-116(74)76-12-9-19-87(76,4)46-113-43-57(38-103-113)61-29-67(91)73(33-95)108-82(61)53-23-69-84(97-34-53)109(5)47-98-69/h13-16,20-29,34-43,47-48,62-63,76H,7-12,17-19,44-46H2,1-6H3
InChIKeyFMAZMNYHEDCKTM-UHFFFAOYSA-N
MW1542.69 g/mol
LogP16.58
Rot. Bonds17

About 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile

6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile (PubChem CID 137388808) has the molecular formula C87H71F4N25 and a molecular weight of 1542.69 g/mol. Its IUPAC name is 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile
PubChem CID137388808
Molecular FormulaC87H71F4N25
Molecular Weight1542.69 g/mol
Exact Mass1541.63
IUPAC Name6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)c(F)cc3-c3cnn(C)c3)ccn2c1C1CCCC1(C)Cn1cc(-c2cc(F)c(C#N)nc2-c2ccn3c(C4CCCC4(C)Cn4cc(-c5cc(F)c(C#N)nc5-c5ccc6c(c5)ncn6C5CCCC5(C)Cn5cc(-c6cc(F)c(C#N)nc6-c6cnc7c(c6)ncn7C)cn5)cn4)cnc3c2)cn1
InChIInChI=1S/C87H71F4N25/c1-49-83(115-21-16-52(25-78(115)104-49)81-58(54-35-100-110(6)40-54)26-64(88)71(31-93)107-81)63-11-8-18-86(63,3)45-112-42-56(37-102-112)60-28-66(90)72(32-94)106-80(60)51-15-20-114-75(39-96-77(114)24-51)62-10-7-17-85(62,2)44-111-41-55(36-101-111)59-27-65(89)70(30-92)105-79(59)50-13-14-74-68(22-50)99-48-116(74)76-12-9-19-87(76,4)46-113-43-57(38-103-113)61-29-67(91)73(33-95)108-82(61)53-23-69-84(97-34-53)109(5)47-98-69/h13-16,20-29,34-43,47-48,62-63,76H,7-12,17-19,44-46H2,1-6H3
InChIKeyFMAZMNYHEDCKTM-UHFFFAOYSA-N
XLogP16.58
TPSA301.13 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.69
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile (CID 137388808) is 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)c(F)cc3-c3cnn(C)c3)ccn2c1C1CCCC1(C)Cn1cc(-c2cc(F)c(C#N)nc2-c2ccn3c(C4CCCC4(C)Cn4cc(-c5cc(F)c(C#N)nc5-c5ccc6c(c5)ncn6C5CCCC5(C)Cn5cc(-c6cc(F)c(C#N)nc6-c6cnc7c(c6)ncn7C)cn5)cn4)cnc3c2)cn1.
What is the InChIKey of 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile?
The InChIKey is FMAZMNYHEDCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H71F4N25/c1-49-83(115-21-16-52(25-78(115)104-49)81-58(54-35-100-110(6)40-54)26-64(88)71(31-93)107-81)63-11-8-18-86(63,3)45-112-42-56(37-102-112)60-28-66(90)72(32-94)106-80(60)51-15-20-114-75(39-96-77(114)24-51)62-10-7-17-85(62,2)44-111-41-55(36-101-111)59-27-65(89)70(30-92)105-79(59)50-13-14-74-68(22-50)99-48-116(74)76-12-9-19-87(76,4)46-113-43-57(38-103-113)61-29-67(91)73(33-95)108-82(61)53-23-69-84(97-34-53)109(5)47-98-69/h13-16,20-29,34-43,47-48,62-63,76H,7-12,17-19,44-46H2,1-6H3.
What are the key properties of 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile?
6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile has a molecular weight of 1542.69 g/mol, XLogP of 16.58, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[[4-[6-cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137388808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).